Geometry & MOs

Info

ID:	288068
PubChem CID:	104310376
Reduced:	BrOSN4H11C13 (1)
Stoich.:	ABCD4E11F13 (1)
Weight, g/mol:	395.90444
ΔH_f, kcal/mol:	76.0
Dipole, Da:	3.23
IP(EA), eV:	-8.62(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[3-(5-bromopyridin-2-yl)-1,2,4-oxadiazol-5-yl]aniline

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C2=NC(=NO2)C3=NC=C(C=C3)Br)N)C

DOS

IR

Vibrations